(2S)-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]propanoic acid CAS Name: (2S)-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-(4-benzylpiperazino)acetyl]amino]propionic acid Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CN1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CN1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H23N3O3/c1-13(16(21)22)17-15(20)12-19-9-7-18(8-10-19)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,17,20)(H,21,22)/t13-/m0/s1